SCHEMBL9126729

SCHEMBL9126729

N=C(Nc1ccccc1)Nc1ncccc1OCc1c(F)cccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SGMS2 Q8NHU3 2/20 0.55
▸ PPIA P62937 11/20 0.48
▸ PPIF P30405 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.43
▸ DHODH Q02127 2/20 0.43
▸ RAB9A P51151 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9129017 0.94 SGMS2 (0.50) SGMS2PPIAPPIFTDP1DHODH
SCHEMBL9127827 0.93 PPIA (0.50) SGMS2PPIAPPIFTDP1DHODH
SCHEMBL9126609 0.92 PPIA (0.53) SGMS2PPIAPPIF
SCHEMBL9123957 0.91 SGMS2 (0.48) SGMS2PPIAPPIFTDP1DHODH
SCHEMBL9129421 0.89 PPIF (0.55) SGMS2PPIAPPIFTDP1DHODH
SCHEMBL9126359 0.87 SGMS2 (0.55) SGMS2PPIAPPIFTDP1DHODH
SCHEMBL9124032 0.87 PPIA (0.53) SGMS2PPIAPPIFRAB9A
SCHEMBL9126946 0.86 PPIA (0.53) SGMS2PPIAPPIFTDP1DHODH
SCHEMBL9127894 0.84 PPIA (0.55) SGMS2PPIAPPIFTDP1RAB9A
Hydrochloric Acid SCHEMBL9125617 0.83 PPIA (0.49) SGMS2PPIAPPIFTDP1DHODH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5409943-A [(alkoxy)pyridinyl]amine compounds which are useful in the treatment of gastrointestinal disorders SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1995-04-25 — — US disclosed
EP-0625143-A1 PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1994-11-23 — — EP disclosed
WO-1993015055-A1 PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1993-08-05 — — WO disclosed
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